SCHEMBL6380565

SCHEMBL6380565

COc1ccc(OC)c(CCNC(=O)Cc2ccc(OC)c(OC)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
POLB P06746 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.58
MAPT P10636 2/20 0.58
ALDH1A1 P00352 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4029338 0.90 KMT2A (0.70) KMT2AMEN1CA1CA2POLB
SCHEMBL4026108 0.88 MTNR1A (0.63) KMT2AMEN1MAPTALDH1A1MTNR1A
SCHEMBL6380117 0.88 MTNR1A (0.67) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL6377511 0.88 MTNR1A (0.68) KMT2AMEN1POLBMTNR1AMTNR1B
SCHEMBL6377376 0.87 KMT2A (0.59) KMT2AMEN1CA1CA2POLB
SCHEMBL179690 0.86 CA1 (0.60) KMT2AMEN1CA1CA2POLB
SCHEMBL29591107 0.86 KMT2A (0.79) KMT2AMEN1CA1CA2POLB
SCHEMBL4026040 0.86 KMT2A (0.79) KMT2AMEN1CA1CA2POLB
SCHEMBL6376337 0.85 ALDH1A1 (0.64) KMT2AMEN1POLBL3MBTL1ALDH1A1
SCHEMBL248400 0.85 CA1 (0.79) KMT2AMEN1CA1CA2L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100393703-C 1,2,3,4-tetrahydroisoquinoline derivatives ACTELION PHARMACEUTICALS LTD (CH) 2008-06-11 CN disclosed
EP-1274687-B1 1,2,3,4- TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-01-05 EP disclosed
US-6703392-B2 OREXIN RECEPTOR ANTAGONISTS FOR OBESITY OR SLEEPING DISORDER TREATMENT ACTELION PHARMACEUTICALS LTD. (CH) 2004-03-09 US disclosed
US-20030176415-A1 1,2,3,4-tetrahydroisoquinoline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2003-09-18 US disclosed
CN-1416420-A 1,2,3, 4-tetrahydroisoquinoline derivatives ACTELION PHARMACEUTICALS LTD (CH) 2003-05-07 CN disclosed
EP-1274687-A1 1,2,3,4- TETRAHYDROISOQUINOLINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2003-01-15 EP disclosed
WO-2001068609-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2001-09-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030176415-A1 1,2,3,4-tetrahydroisoquinoline derivatives HCRTR2, HCRTR1, NPY2R KMT2A 1396/4885MEN1 764/4885CA1 2487/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.